1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea

C11H15ClN2O — CID 154159072

IUPAC1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea
SMILESCc1ccc(N(C)C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-8-5-6-10(9(12)7-8)14(4)11(15)13(2)3/h5-7H,1-4H3
InChIKeyBEGLHBFFZXQSFF-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.77
Rot. Bonds1

About 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea

1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea (PubChem CID 154159072) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea
PubChem CID154159072
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea
SMILESCc1ccc(N(C)C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-8-5-6-10(9(12)7-8)14(4)11(15)13(2)3/h5-7H,1-4H3
InChIKeyBEGLHBFFZXQSFF-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-chloro-4-methylphenyl)-N,N-dimethylethenamine
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CID 21161328
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea (CID 154159072) is 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea is Cc1ccc(N(C)C(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea?
The InChIKey is BEGLHBFFZXQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-5-6-10(9(12)7-8)14(4)11(15)13(2)3/h5-7H,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea?
1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea has a molecular weight of 226.71 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea is sourced from PubChem (CID 154159072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).